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| CAS No.: | 55206-24-1 |
|---|---|
| Name: | 6-Fluorotryptamine hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C10H11FN2.HCl |
| Molecular Weight: | 214.6671 |
| Synonyms: | 1H-Indole-3-ethanamine,6-fluoro-, monohydrochloride (9CI);3-(2-Aminoethyl)-6-fluoroindole hydrochloride;6-Fluorotryptamine hydrochloride;2-(6-fluoro-1H-indol-3-yl)ethanamine hydrochloride; |
| EINECS: | 259-533-4 |
| Melting Point: | 233-235 °C(lit.) |
| Boiling Point: | 346 °C at 760 mmHg |
| Flash Point: | 163 °C |
| Appearance: | white to slightly beige fine crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37 |
| Safety: | 26-37/39 |
| PSA: | 41.81000 |
| LogP: | 3.31050 |
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Specification
The 6-Fluorotryptamine hydrochloride, with the CAS registry number 55206-24-1 and EINECS registry number 259-533-4, has the systematic name of 2-(6-fluoro-1H-indol-3-yl)ethanamine hydrochloride. It is a kind of light sensitive chemical, and belongs to the following product categories: Indole/indoline/oxindole; Indole and Indoline; Indole; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles. And the molecular formula of the chemical is C10H11FN2.HCl. What's more, it should be stored at -20°C.
The characteristics of 6-Fluorotryptamine hydrochloride are as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 8.17 Å2 ; (13)Flash Point: 163 °C; (14)Enthalpy of Vaporization: 59.01 kJ/mol; (15)Boiling Point: 346 °C at 760 mmHg; (16)Vapour Pressure: 5.95E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes and respiratory system. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.Fc1ccc2c(c1)ncc2CCN
(2)InChI: InChI=1/C10H11FN2.ClH/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8;/h1-2,5-6,13H,3-4,12H2;1H
(3)InChIKey: ODVDIBHWTMTHOS-UHFFFAOYAR